ChemDiv1_002138
TL;DR: ChemDiv1_002138 (CAS 313380-23-3) is a chemical compound with molecular formula C26H20N6O3S and molecular weight 496.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002138, ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[({5-cyano-[2,4'-bipyridine]-6-yl}sulfanyl)methyl]-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, 2-amino-3-cyano-4-(3-pyridyl)-5-ethoxocarbonyl-6-5-(2'-(3'-cyano-6'-(4-pyridayl)pyridyl))thiomethyl-1,4-dihydropyran, ethyl 6-amino-5-cyano-2-(((5-cyano-[2,4'-bipyridin]-6-yl)thio)methyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
| Molecular Formula | C26H20N6O3S |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.13177 |
| Heavy Atoms | 36 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 313380-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N |
| InChIKey | BCYSDRBLLFDUKH-UHFFFAOYSA-N |
Product Overview
ChemDiv1_002138 (CAS 313380-23-3), with molecular formula C26H20N6O3S and molecular weight 496.13 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002138
Property Insights of ChemDiv1_002138
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002138. The TPSA of 173.0 Ų indicates high polarity, suggesting ChemDiv1_002138 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002138 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002138?
The CAS number of ChemDiv1_002138 is 313380-23-3.
What is the molecular formula of ChemDiv1_002138?
The molecular formula of ChemDiv1_002138 is C26H20N6O3S.
What is the molecular weight of ChemDiv1_002138?
The molecular weight of ChemDiv1_002138 is 496.13 g/mol.
Where can I buy ChemDiv1_002138?
You can request a quote for ChemDiv1_002138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002138?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.